Area of Interest 2B - Computer-Aided Development of Materials

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Area of Interest 2B - Computer-Aided Development of Materials: NOTE: This descriptive area provides an overview of Area of Interest 2B only. YOU MUST READ THE ENTIRE FUNDING OPPORTUNITY ANNOUNCEMENT DOCUMENT FOR ADDITIONAL INFORMATION, EVALUATION CRITERIA AND INSTRUCTIONS ON HOW TO PREPARE AN APPLICATION UNDER A SPECIFIC AREA OF INTEREST. Please scroll to the bottom of this page to access the Funding Opportunity Announcement. AREA 2- MATERIAL SCIENCE 2B Computer-Aided Development of Materials Novel materials that can withstand high temperatures and extreme environments are dominant themes in materials development for efficient energy systems. Basic requirements are elevated melting temperatures, high oxidation and corrosion resistance, the ability to resist creep, and high toughness, and encompass some of the most challenging problems in materials science. An effective way to accelerate research in this field is to use advances in materials simulations and high performance computing and communications to guide experiments. This synergy between experiment and advanced materials modeling will significantly enhance the synthesis of novel high-temperature materials. Computer simulation to study the structure, properties, and processing of materials on the atomic scale is needed to speed the advancement of innovative strategies that would replace traditional, trial-and-error experimental methods which are costly and time-consuming. A wide range of computer modeling tools, ranging from highly accurate quantum mechanics (electronic structure) methods to simple interatomic potentials and databases to support the models, could be brought to bear on addressing critical materials needs. Grant applications are sought for the development of computational tools and simulations that will reliably predict properties of materials for fossil energy systems in advance of fabrication. The research should only address materials of interest to fossil energy conversion systems. Interested parties looking to submit an application under this area of interest can download the application package at the following link by clicking on the Application button in the top right-hand corner of the screen:

using thislinkiips_helpdesk@e-center.doe.govMartin ByrnesMartin.Byrnes@netl.doe.gov iips_helpdesk@e-center.doe.gov If you have any problems linking to the funding opportunity please contact the IIPS HelpDesk